SCHEMBL3910876

SCHEMBL3910876

COC(=O)c1sc(Br)c(Br)c1OCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.40
NR1H2 P55055 1/20 0.38
ALDH1A1 P00352 2/20 0.37
DTYMK P23919 2/20 0.37
STS P08842 1/20 0.37
PRNP P04156 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
EED O75530 1/20 0.35
RBBP4 Q09028 1/20 0.35
SUZ12 Q15022 1/20 0.35
EZH2 Q15910 1/20 0.35
AEBP2 Q6ZN18 1/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
KMT2A Q03164 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6278144 0.85 PTPN1 (0.46) PTPN1ALDH1A1RXFP1MEN1KMT2A
SCHEMBL3909688 0.85 PTPN1 (0.46) PTPN1ALDH1A1RXFP1MEN1KMT2A
SCHEMBL3906530 0.80 PTPN1 (0.48) PTPN1MEN1KMT2AMAPT
SCHEMBL3912295 0.73 PTPN1 (0.41) PTPN1ALDH1A1MEN1KMT2AMAPT
SCHEMBL6262512 0.73 PTPN1 (0.40) PTPN1KMT2AMAPT
SCHEMBL3906716 0.73 PTPN1 (0.71) PTPN1KMT2AMAPT
SCHEMBL3908251 0.73 PTPN1 (0.48) PTPN1ALDH1A1MEN1KMT2ALMNA
SCHEMBL3916294 0.70 DPP4 (0.43) PTPN1ALDH1A1
SCHEMBL12732309 0.70 USP2 (0.51) NR1H2ALDH1A1DTYMKDDB1CRBN
SCHEMBL3911917 0.69 PTPN1 (0.49) PTPN1ALDH1A1MEN1KMT2AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
US-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081954-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRO, PTPRS, PTPRM PTPN1 11/4885NR1H2 4189/4885ALDH1A1 2158/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.